[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone

Systemtic Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone Openeye Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone CAS Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone IUPAC Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone Traditional Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone Formula: C29H39N3O2 MolecularWeight: 461.63886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCCCC)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCCCC)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C29H39N3O2/c1-6-8-10-11-12-22-13-15-24(16-14-22)27(33)32-26(30-28(31-32)34-21-9-7-2)23-17-19-25(20-18-23)29(3,4)5/h13-20H,6-12,21H2,1-5H3